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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=1521",
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"results": [
{
"id": "jvasp-79753",
"created_at": "2022-09-04T14:37:11.374268Z",
"updated_at": "2022-09-04T14:37:11.374289Z",
"structure_string": "Mg2 Ga2\n1.0\n4.794630 -0.000000 -0.000000\n-2.397314 4.152271 0.000000\n-0.000000 -0.000000 5.440267\nMg Ga\n2 2\ndirect\n0.666667 0.333333 0.562500 Mg\n0.333334 0.666667 0.062500 Mg\n0.666667 0.333333 0.062500 Ga\n0.333334 0.666667 0.562500 Ga\n",
"nsites": 4,
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"elements": [
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],
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"density": 2.8832034462228204,
"density_atomic": 0.03693167354164976,
"volume": 108.30811648676016,
"volume_molar": 16.306168073343656,
"formula_full": "Mg2 Ga2",
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},
{
"id": "jvasp-79749",
"created_at": "2022-09-04T14:37:17.536436Z",
"updated_at": "2022-09-04T14:37:17.536456Z",
"structure_string": "Mg2 Ga2\n1.0\n3.226676 0.000000 -0.000000\n-1.613338 2.794384 0.000000\n0.000000 -0.000000 9.077525\nMg Ga\n2 2\ndirect\n0.333333 0.666666 0.639411 Mg\n0.666667 0.333333 0.360589 Mg\n0.666667 0.333333 0.886571 Ga\n0.333333 0.666666 0.113429 Ga\n",
"nsites": 4,
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"elements": [
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],
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"density": 3.815288586467424,
"density_atomic": 0.048870985059063995,
"volume": 81.84815581608844,
"volume_molar": 12.32252788177243,
"formula_full": "Mg2 Ga2",
"formula_reduced": "MgGa",
"formula_anonymous": "AB",
"energy_above_hull": 0.2722655,
"spacegroup": 164
},
{
"id": "jvasp-91865",
"created_at": "2022-09-04T14:35:41.769387Z",
"updated_at": "2022-09-04T14:35:41.769416Z",
"structure_string": "Mg7 Ga1\n1.0\n6.271087 0.000000 0.000000\n-3.135543 5.430920 0.000000\n-0.000000 0.000000 5.116690\nMg Ga\n7 1\ndirect\n0.165604 0.832801 0.250000 Mg\n0.667199 0.334397 0.250000 Mg\n0.667199 0.832801 0.250000 Mg\n0.331428 0.168572 0.750000 Mg\n0.331428 0.662857 0.750000 Mg\n0.837143 0.168572 0.750000 Mg\n0.833334 0.666667 0.750000 Mg\n0.166667 0.333333 0.250000 Ga\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"Ga"
],
"chemical_system": "Ga-Mg",
"density": 2.2855881127341724,
"density_atomic": 0.04590760646390623,
"volume": 174.2630604427136,
"volume_molar": 13.117958490680113,
"formula_full": "Mg7 Ga1",
"formula_reduced": "Mg7Ga",
"formula_anonymous": "AB7",
"energy_above_hull": 0.0,
"spacegroup": 187
},
{
"id": "jvasp-78561",
"created_at": "2022-09-04T14:36:34.779403Z",
"updated_at": "2022-09-04T14:36:34.779429Z",
"structure_string": "Mg1 Ga1\n1.0\n3.083995 0.000000 0.000000\n0.000000 3.083995 0.000000\n0.000000 0.000000 3.997886\nMg Ga\n1 1\ndirect\n0.500001 0.500001 0.500001 Mg\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mg",
"Ga"
],
"chemical_system": "Ga-Mg",
"density": 4.106279997499371,
"density_atomic": 0.05259836677044994,
"volume": 38.023994332911705,
"volume_molar": 11.44929230651183,
"formula_full": "Mg1 Ga1",
"formula_reduced": "MgGa",
"formula_anonymous": "AB",
"energy_above_hull": 0.2146904999999999,
"spacegroup": 123
},
{
"id": "jvasp-110005",
"created_at": "2022-09-04T14:37:58.812066Z",
"updated_at": "2022-09-04T14:37:58.812099Z",
"structure_string": "Mg1 Ga3\n1.0\n3.929103 0.184736 -3.451766\n-0.686600 3.873055 -3.451766\n-0.147619 -0.184736 5.227882\nMg Ga\n1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500001 -0.000000 Ga\n0.749999 0.250001 0.499999 Ga\n0.250000 0.750001 0.499999 Ga\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Ga"
],
"chemical_system": "Ga-Mg",
"density": 5.142055459435646,
"density_atomic": 0.05305289973727128,
"volume": 75.39644430010068,
"volume_molar": 11.351200009467652,
"formula_full": "Mg1 Ga3",
"formula_reduced": "MgGa3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-38944",
"created_at": "2022-09-04T14:37:55.720513Z",
"updated_at": "2022-09-04T14:37:55.720546Z",
"structure_string": "Mg3 Ga1\n1.0\n4.336513 0.000000 0.000000\n-0.000000 4.336513 0.000000\n-0.000000 -0.000000 4.336513\nMg Ga\n3 1\ndirect\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Ga"
],
"chemical_system": "Ga-Mg",
"density": 2.9044398060813297,
"density_atomic": 0.04904988950269458,
"volume": 81.54962305838137,
"volume_molar": 12.277582724562858,
"formula_full": "Mg3 Ga1",
"formula_reduced": "Mg3Ga",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0931434999999999,
"spacegroup": 221
},
{
"id": "jvasp-79164",
"created_at": "2022-09-04T14:38:03.415799Z",
"updated_at": "2022-09-04T14:38:03.415828Z",
"structure_string": "Mg3 Ga1\n1.0\n6.168729 -0.137430 0.000000\n-1.601690 2.774210 -0.000000\n0.000000 0.000000 4.951562\nMg Ga\n3 1\ndirect\n0.671581 0.671581 0.250000 Mg\n0.324592 0.324592 0.750000 Mg\n0.834642 0.334642 0.750000 Mg\n0.169185 0.669185 0.250000 Ga\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Ga"
],
"chemical_system": "Ga-Mg",
"density": 2.8315839156295275,
"density_atomic": 0.047819506497751955,
"volume": 83.64787286518828,
"volume_molar": 12.593481616718709,
"formula_full": "Mg3 Ga1",
"formula_reduced": "Mg3Ga",
"formula_anonymous": "AB3",
"energy_above_hull": 0.1002309999999999,
"spacegroup": 25
},
{
"id": "jvasp-39299",
"created_at": "2022-09-04T14:37:57.577476Z",
"updated_at": "2022-09-04T14:37:57.577502Z",
"structure_string": "Lu2 Zn1 Ga1\n1.0\n-0.000000 3.469024 3.469024\n3.469024 -0.000000 3.469024\n3.469024 3.469024 0.000000\nLu Zn Ga\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Lu\n0.499999 0.499999 0.499999 Lu\n0.749999 0.749999 0.749999 Zn\n0.249999 0.249999 0.249999 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Lu",
"Zn",
"Ga"
],
"chemical_system": "Ga-Lu-Zn",
"density": 9.647127599984993,
"density_atomic": 0.04790800456586729,
"volume": 83.4933543203729,
"volume_molar": 12.570218306045993,
"formula_full": "Lu2 Zn1 Ga1",
"formula_reduced": "Lu2ZnGa",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.04212855625,
"spacegroup": 225
},
{
"id": "jvasp-35494",
"created_at": "2022-09-04T14:37:58.929277Z",
"updated_at": "2022-09-04T14:37:58.929308Z",
"structure_string": "Lu1 Ti2 Ga4\n1.0\n-3.335039 3.335039 -2.730263\n3.335039 -3.335039 -2.730263\n-3.335039 -3.335039 2.730263\nLu Ti Ga\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Lu\n0.750000 0.250000 0.500000 Ti\n0.250000 0.750000 0.500000 Ti\n0.698089 0.698089 0.396178 Ga\n0.301911 0.301911 0.603822 Ga\n0.301910 0.698089 0.000000 Ga\n0.698089 0.301910 0.000000 Ga\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Lu",
"Ti",
"Ga"
],
"chemical_system": "Ga-Lu-Ti",
"density": 7.513183243515276,
"density_atomic": 0.057627758986433124,
"volume": 121.46923849056768,
"volume_molar": 10.450069317145834,
"formula_full": "Lu1 Ti2 Ga4",
"formula_reduced": "Lu(TiGa2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.1075502452380956,
"spacegroup": 139
},
{
"id": "jvasp-79978",
"created_at": "2022-09-04T14:37:14.854460Z",
"updated_at": "2022-09-04T14:37:14.854486Z",
"structure_string": "Lu2 Ga1 Tc1\n1.0\n-0.000000 3.406520 3.406520\n3.406520 -0.000000 3.406520\n3.406520 3.406520 0.000000\nLu Ga Tc\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Lu\n0.500001 0.500001 0.500001 Lu\n0.250001 0.250001 0.250001 Ga\n0.750000 0.750000 0.750000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Lu",
"Ga",
"Tc"
],
"chemical_system": "Ga-Lu-Tc",
"density": 10.872473647920406,
"density_atomic": 0.0505937844864799,
"volume": 79.06109496649562,
"volume_molar": 11.902926063199104,
"formula_full": "Lu2 Ga1 Tc1",
"formula_reduced": "Lu2GaTc",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.83442383125,
"spacegroup": 225
},
{
"id": "jvasp-116480",
"created_at": "2022-09-04T14:38:41.709285Z",
"updated_at": "2022-09-04T14:38:41.709318Z",
"structure_string": "Lu3 Ga8 Rh3\n1.0\n7.811162 0.046182 -2.103165\n-0.751550 3.954571 -7.016853\n-0.078352 -0.046182 8.088968\nLu Ga Rh\n3 8 3\ndirect\n0.500000 0.500000 -0.000001 Lu\n0.165570 0.165570 -0.000000 Lu\n0.834430 0.834429 -0.000001 Lu\n0.658966 0.375453 0.283512 Ga\n0.341034 0.624546 0.716488 Ga\n0.091943 0.375454 0.716488 Ga\n0.908057 0.624546 0.283511 Ga\n0.542859 0.170409 0.372450 Ga\n0.457141 0.829591 0.627549 Ga\n0.797958 0.170409 0.627549 Ga\n0.202042 0.829591 0.372451 Ga\n0.000000 0.500000 0.500000 Rh\n0.221553 -0.000000 0.221552 Rh\n0.778448 -0.000000 0.778447 Rh\n",
"nsites": 14,
"nelements": 3,
"elements": [
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"Rh"
],
"chemical_system": "Ga-Lu-Rh",
"density": 9.357307271094797,
"density_atomic": 0.056699256222455766,
"volume": 246.91681924489328,
"volume_molar": 10.621198867887315,
"formula_full": "Lu3 Ga8 Rh3",
"formula_reduced": "Lu3Ga8Rh3",
"formula_anonymous": "A3B3C8",
"energy_above_hull": 0.7617110607142858,
"spacegroup": 71
},
{
"id": "jvasp-41686",
"created_at": "2022-09-04T14:37:40.924889Z",
"updated_at": "2022-09-04T14:37:40.924906Z",
"structure_string": "Lu1 Ga1 Rh2\n1.0\n0.000000 3.178334 3.178334\n3.178334 -0.000000 3.178334\n3.178334 3.178334 0.000000\nLu Ga Rh\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Lu\n0.250000 0.250000 0.250000 Ga\n0.000000 0.000000 0.000000 Rh\n0.499998 0.499998 0.499998 Rh\n",
"nsites": 4,
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"elements": [
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],
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"density": 11.649740724965474,
"density_atomic": 0.06229187370282514,
"volume": 64.21383339796033,
"volume_molar": 9.667618586542654,
"formula_full": "Lu1 Ga1 Rh2",
"formula_reduced": "LuGaRh2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.43937351875,
"spacegroup": 225
}
]
}